Geometry & MOs

Info

ID:

66751

PubChem CID:

46505199

Reduced:

FN4O6C29H29 (1)

Stoich.:

AB4C6D29E29 (1)

Weight, g/mol:

499.211864

ΔHf, kcal/mol:

-132.97

Dipole, Da:

6.03

IP(EA), eV:

 -8.92(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5F

DOS

IR

Vibrations